714 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Oak Ridge National LaboratoryUS284 papers
- University of Tennessee at KnoxvilleUS71 papers
- Frantsevich Institute for Problems in Materials ScienceUA39 papers
- Institute of PhysicsPL38 papers
- National Academy of Sciences of UkraineUA35 papers
- Argonne National LaboratoryUS20 papers
- University of FloridaUS16 papers
- Vanderbilt UniversityUS15 papers
- V.E. Lashkaryov Institute of Semiconductor PhysicsUA14 papers
- Chinese Academy of SciencesCN10 papers
- Lawrence Berkeley National LaboratoryUS10 papers
- National Institute of Standards and TechnologyUS9 papers
125 papers · 1 filter
Rapid synthesis of dual-element isotope-enriched alpha-MoO3 crystals by reactive vapor transport
Ryan W. Spangler, Jacob M. Shusterman, Anton V. Ievlev +3
In this work, we develop a rapid reactive vapor transport technique to efficiently utilize limited isotopically pure precursors, particularly gaseous 18O2, and synthesize mm-scale,…
Raman Digital Twin of Monolayer Janus Transition Metal Dichalcogenides
Johnathan Kowalski, Liangbo Liang
Monolayer transition metal dichalcogenides (TMDs) are a key class of two-dimensional (2D) materials with broad technological potential. Their Janus counterparts exhibit unique prop…
Curiosity Driven Exploration to Optimize Structure-Property Learning in Microscopy
Aditya Vatsavai, Ganesh Narasimha, Yongtao Liu +5
Rapidly determining structure-property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. I…
Deep learning with reflection high-energy electron diffraction images to predict cation ratio in SrTiO thin films
Sumner B. Harris, Patrick T. Gemperline, Christopher M. Rouleau +2
Machine learning (ML) with in situ diagnostics offers a transformative approach to accelerate, understand, and control thin film synthesis by uncovering relationships between synth…
Quantum Monte Carlo and density functional theory study of strain and magnetism in 2D 1T-VSe with charge density wave states
Daniel Wines, Akram Ibrahim, Nishwanth Gudibandla +18
Two-dimensional (2D) 1T-VSe has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) stat…
Sub-10 nm Probing of Ferroelectricity in Heterogeneous Materials by Machine Learning Enabled Contact Kelvin Probe Force Microscopy
Sebastian W. Schmitt, Rama K. Vasudevan, Maurice Seifert +4
Reducing the dimensions of ferroelectric materials down to the nanoscale has strong implications on the ferroelectric polarization pattern and on the ability to switch the polariza…
Contrast mechanisms in secondary electron e-beam induced current (SEEBIC) imaging
Ondrej Dyck, Jacob L. Swett, Charalambos Evangeli +3
Over the last few years, a new mode for imaging in the scanning transmission electron microscope (STEM) has gained attention as it permits the direct visualization of sample conduc…
Polytypism in Few-Layer Gallium Selenide
Soo Yeon Lim, Jae-Ung Lee, Jung Hwa Kim +6
Gallium selenide (GaSe) is one of layered group-III metal monochalcogenides, which has an indirect bandgap in monolayer and direct bandgap in bulk unlike other conventional transit…
Unusual Electrical Conductivity Driven by Localized Stoichiometry Modification at Vertical Epitaxial Interfaces
Wenrui Zhang, Shaobo Cheng, Christopher M Rouleau +7
Precise control of lattice mismatch accommodation and cation interdiffusion across the interface is critical to modulate correlated functionalities in epitaxial heterostructures, p…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design
Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid +25
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional the…
Investigating phase transitions from local crystallographic analysis based on machine learning of atomic environments
Rama K. Vasudevan, Maxim Ziatdinov, Lukas Vlcek +8
Traditionally, phase transitions are explored using a combination of macroscopic functional characterization and scattering techniques, providing insight into average properties an…
Exploring order parameters and dynamic processes in disordered systems via variational autoencoders
Sergei V. Kalinin, Ondrej Dyck, Stephen Jesse +1
We suggest and implement an approach for the bottom-up description of systems undergoing large-scale structural changes and chemical transformations from dynamic atomically resolve…
Exploring physics of ferroelectric domain walls via Bayesian analysis of atomically resolved STEM data
Christopher T. Nelson, Rama K. Vasudevan, Xiaohang Zhang +5
The physics of ferroelectric domain walls is explored using the Bayesian inference analysis of atomically resolved STEM data. We demonstrate that domain wall profile shapes are ult…
Exploration of lattice Hamiltonians for functional and structural discovery via Gaussian Process-based Exploration-Exploitation
Sergei V. Kalinin, Mani Valleti, Rama K. Vasudevan +1
Statistical physics models ranging from simple lattice to complex quantum Hamiltonians are one of the mainstays of modern physics, that have allowed both decades of scientific disc…
Predictability as a probe of manifest and latent physics: The case of atomic scale structural, chemical, and polarization behaviors in multiferroic Sm-doped BiFeO3
Maxim Ziatdinov, Nicole Creange, Xiaohang Zhang +6
The predictability of a certain effect or phenomenon is often equated with the knowledge of relevant physical laws, typically understood as a functional or numerically derived rela…
Realizing gapped surface states in magnetic topological insulator MnBiSbTe
Wonhee Ko, Marek Kolmer, Jiaqiang Yan +7
The interplay between magnetism and non-trivial topology in magnetic topological insulators (MTI) is expected to give rise to a variety of exotic topological quantum phenomena, suc…
Reconstruction of the interatomic forces from dynamic Scanning Transmission Electron Microscopy data
M. Chakraborty, M. Ziatdinov, O. Dyck +3
We explore the possibility for the reconstruction of the generative physical models describing interactions between atomic units in solids from observational electron microscopy da…
Lattice strain measurement of core@shell electrocatalysts with 4D-STEM nanobeam electron diffraction
Debangshu Mukherjee, Jocelyn T. L. Gamler, Sara E. Skrabalak +1
Strain engineering enables the direct modification of the atomic bonding and is currently an active area of research aimed at improving the electrocatalytic activity. However, dire…
Quantum Prediction of Ultra-Low Thermal Conductivity in Lithium Intercalation Materials
Tianli Feng, Andrew O'Hara, Sokrates T. Pantelides
Lithium-intercalated layered transition-metal oxides, LixTMO2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a…
Rotational polarization nanotopologies in BaTiO3/SrTiO3 superlattices
Saul Estandia, Florencio Sanchez, Matthew F. Chisholm +1
Ferroelectrics are characterized by domain structures as are other ferroics. At the nanoscale though, ferroelectrics may exhibit non-trivial or exotic polarization configurations u…
Phase Diagrams of Single Layer Two-Dimensional Transition Metal Dichalcogenides: Landau Theory
Anna N. Morozovska, Eugene A. Eliseev, Kevin D. Stubbs +3
Single layer (SL) two-dimensional transition metal dichalcogenides (TMDs), such as MoS2, ReS2, WSe2, and MoTe2 have now become the focus of intensive fundamental and applied resear…
Melting of Spatially Modulated Phases in La-doped BiFeO3 at Surfaces and Surface-Domain Wall Junctions
Anna N. Morozovska, Eugene A. Eliseev, Deyang Chen +3
The interplay between the surface and domain wall phenomena in multiferroic LaxBi1-xFeO3 in the vicinity of morphotropic phase transition is explored on the atomic level. Scanning…
Engineering Ferroelectric Hf0.5Zr0.5O2 Thin Films by Epitaxial Stress
Saul Estandia, Nico Dix, Jaume Gazquez +5
The critical impact of epitaxial stress on the stabilization of the ferroelectric orthorhombic phase of hafnia is proved. Epitaxial bilayers of Hf0.5Zr0.5O2 and La0.67Sr0.33MnO3 el…
Four-phonon scattering diminishes the optical phonon contribution and isotope effect to thermal conductivity of III-V semiconductors
Xiaolong Yang, Tianli Feng, Ju Li +1
Recent studies reveal that four-phonon scattering is generally important in determining thermal conductivities of solids. However, these studies have been focused on materials wher…